USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 452 HIS HE2 : A 452 HIS NE2 : A 489 ZNZN :(H bumps) USER MOD NoAdj-H: A 455 HIS HD1 : A 455 HIS ND1 : A 488 ZNZN :(H bumps) USER MOD NoAdj-H: A 481 HIS HD1 : A 481 HIS ND1 : A 489 ZNZN :(H bumps) USER MOD Set 1.1: A 445 TYR OH : rot -64:sc= -1.41 USER MOD Set 1.2: A 474 ASN : amide:sc= -4.73! C(o=-6.1!,f=-6.8!) USER MOD Set 2.1: A 434 TYR OH : rot -130:sc= -1.82 USER MOD Set 2.2: A 457 GLN :FLIP amide:sc= 0.458 F(o=-2.9,f=-1.4) USER MOD Set 3.1: A 420 CYS SG : rot 180:sc= -1.87 USER MOD Set 3.2: A 459 MET CE :methyl 152:sc= -0.189 (180deg=-0.447) USER MOD Single : A 410 SER OG : rot 13:sc= 1.04 USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : A 428 ASN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 429 THR OG1 : rot -30:sc= 0.974 USER MOD Single : A 435 SER OG : rot -93:sc= 0.983 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.4!) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 136:sc= -3.88! (180deg=-6.54!) USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -0.682 X(o=-0.68,f=-0.28) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0732 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -1.04 F(o=-2.4!,f=-1) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 120:sc= -4.11! USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 48.786 -25.168 -2.938 1.00 0.00 N ATOM 2 CA GLY A 406 49.992 -25.839 -2.374 1.00 0.00 C ATOM 3 C GLY A 406 50.174 -25.424 -0.911 1.00 0.00 C ATOM 4 O GLY A 406 49.472 -24.560 -0.423 1.00 0.00 O ATOM 0 HA2 GLY A 406 49.885 -26.921 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 406 50.875 -25.568 -2.952 1.00 0.00 H new ATOM 10 N PRO A 407 51.113 -26.056 -0.254 1.00 0.00 N ATOM 11 CA PRO A 407 51.384 -25.743 1.171 1.00 0.00 C ATOM 12 C PRO A 407 52.083 -24.386 1.296 1.00 0.00 C ATOM 13 O PRO A 407 51.682 -23.540 2.071 1.00 0.00 O ATOM 14 CB PRO A 407 52.309 -26.872 1.617 1.00 0.00 C ATOM 15 CG PRO A 407 52.969 -27.352 0.363 1.00 0.00 C ATOM 16 CD PRO A 407 52.001 -27.108 -0.765 1.00 0.00 C ATOM 0 HA PRO A 407 50.479 -25.676 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 407 53.045 -26.517 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 407 51.749 -27.673 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 407 53.904 -26.819 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 407 53.215 -28.411 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 407 52.517 -26.789 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 407 51.445 -28.012 -1.016 1.00 0.00 H new ATOM 24 N LEU A 408 53.125 -24.174 0.539 1.00 0.00 N ATOM 25 CA LEU A 408 53.854 -22.873 0.612 1.00 0.00 C ATOM 26 C LEU A 408 53.425 -21.960 -0.540 1.00 0.00 C ATOM 27 O LEU A 408 53.122 -22.416 -1.626 1.00 0.00 O ATOM 28 CB LEU A 408 55.334 -23.241 0.482 1.00 0.00 C ATOM 29 CG LEU A 408 55.976 -23.330 1.872 1.00 0.00 C ATOM 30 CD1 LEU A 408 55.907 -21.964 2.563 1.00 0.00 C ATOM 31 CD2 LEU A 408 55.232 -24.371 2.715 1.00 0.00 C ATOM 0 H LEU A 408 53.504 -24.846 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 408 53.647 -22.335 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 408 55.436 -24.194 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 408 55.852 -22.494 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 408 57.020 -23.627 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 408 56.364 -22.032 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 408 56.442 -21.226 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 408 54.865 -21.661 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 408 55.689 -24.433 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 408 54.187 -24.078 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 408 55.290 -25.344 2.226 1.00 0.00 H new ATOM 43 N GLY A 409 53.398 -20.675 -0.312 1.00 0.00 N ATOM 44 CA GLY A 409 52.992 -19.731 -1.392 1.00 0.00 C ATOM 45 C GLY A 409 54.060 -18.646 -1.566 1.00 0.00 C ATOM 46 O GLY A 409 53.848 -17.666 -2.254 1.00 0.00 O ATOM 0 H GLY A 409 53.640 -20.238 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 409 52.856 -20.273 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 409 52.034 -19.274 -1.146 1.00 0.00 H new ATOM 50 N SER A 410 55.205 -18.814 -0.949 1.00 0.00 N ATOM 51 CA SER A 410 56.298 -17.797 -1.072 1.00 0.00 C ATOM 52 C SER A 410 55.748 -16.374 -0.888 1.00 0.00 C ATOM 53 O SER A 410 55.620 -15.632 -1.842 1.00 0.00 O ATOM 54 CB SER A 410 56.862 -17.985 -2.483 1.00 0.00 C ATOM 55 OG SER A 410 55.947 -17.463 -3.436 1.00 0.00 O ATOM 0 H SER A 410 55.431 -19.617 -0.362 1.00 0.00 H new ATOM 0 HA SER A 410 57.063 -17.929 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 410 57.823 -17.479 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 410 57.040 -19.043 -2.676 1.00 0.00 H new ATOM 0 HG SER A 410 55.274 -16.918 -2.978 1.00 0.00 H new ATOM 61 N PRO A 411 55.441 -16.039 0.340 1.00 0.00 N ATOM 62 CA PRO A 411 54.903 -14.691 0.645 1.00 0.00 C ATOM 63 C PRO A 411 56.010 -13.640 0.531 1.00 0.00 C ATOM 64 O PRO A 411 55.761 -12.493 0.211 1.00 0.00 O ATOM 65 CB PRO A 411 54.416 -14.815 2.086 1.00 0.00 C ATOM 66 CG PRO A 411 55.224 -15.929 2.672 1.00 0.00 C ATOM 67 CD PRO A 411 55.563 -16.870 1.545 1.00 0.00 C ATOM 0 HA PRO A 411 54.114 -14.379 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 411 54.568 -13.886 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 411 53.350 -15.038 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 411 56.131 -15.543 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 411 54.661 -16.446 3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 411 56.570 -17.274 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 411 54.880 -17.719 1.515 1.00 0.00 H new ATOM 75 N GLU A 412 57.232 -14.023 0.788 1.00 0.00 N ATOM 76 CA GLU A 412 58.358 -13.050 0.694 1.00 0.00 C ATOM 77 C GLU A 412 59.066 -13.196 -0.655 1.00 0.00 C ATOM 78 O GLU A 412 60.040 -13.913 -0.782 1.00 0.00 O ATOM 79 CB GLU A 412 59.302 -13.424 1.838 1.00 0.00 C ATOM 80 CG GLU A 412 59.082 -12.471 3.015 1.00 0.00 C ATOM 81 CD GLU A 412 60.400 -12.273 3.766 1.00 0.00 C ATOM 82 OE1 GLU A 412 61.032 -13.267 4.083 1.00 0.00 O ATOM 83 OE2 GLU A 412 60.754 -11.131 4.008 1.00 0.00 O ATOM 0 H GLU A 412 57.499 -14.969 1.059 1.00 0.00 H new ATOM 0 HA GLU A 412 58.020 -12.016 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 412 59.122 -14.452 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 412 60.337 -13.370 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 412 58.709 -11.512 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 412 58.325 -12.875 3.687 1.00 0.00 H new ATOM 90 N PHE A 413 58.583 -12.521 -1.664 1.00 0.00 N ATOM 91 CA PHE A 413 59.226 -12.619 -3.007 1.00 0.00 C ATOM 92 C PHE A 413 59.314 -11.235 -3.660 1.00 0.00 C ATOM 93 O PHE A 413 60.294 -10.902 -4.298 1.00 0.00 O ATOM 94 CB PHE A 413 58.317 -13.549 -3.818 1.00 0.00 C ATOM 95 CG PHE A 413 56.944 -12.932 -3.962 1.00 0.00 C ATOM 96 CD1 PHE A 413 56.030 -12.997 -2.904 1.00 0.00 C ATOM 97 CD2 PHE A 413 56.588 -12.296 -5.157 1.00 0.00 C ATOM 98 CE1 PHE A 413 54.759 -12.426 -3.040 1.00 0.00 C ATOM 99 CE2 PHE A 413 55.316 -11.725 -5.294 1.00 0.00 C ATOM 100 CZ PHE A 413 54.402 -11.791 -4.235 1.00 0.00 C ATOM 0 H PHE A 413 57.771 -11.906 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 413 60.245 -13.001 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 413 58.750 -13.727 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 413 58.240 -14.518 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 413 56.305 -13.488 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 413 57.294 -12.245 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 413 54.054 -12.476 -2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 413 55.040 -11.234 -6.216 1.00 0.00 H new ATOM 0 HZ PHE A 413 53.421 -11.352 -4.341 1.00 0.00 H new ATOM 110 N GLY A 414 58.298 -10.428 -3.506 1.00 0.00 N ATOM 111 CA GLY A 414 58.324 -9.068 -4.117 1.00 0.00 C ATOM 112 C GLY A 414 59.390 -8.215 -3.425 1.00 0.00 C ATOM 113 O GLY A 414 59.225 -7.794 -2.297 1.00 0.00 O ATOM 0 H GLY A 414 57.451 -10.652 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 414 58.538 -9.141 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 414 57.346 -8.596 -4.020 1.00 0.00 H new ATOM 117 N TYR A 415 60.479 -7.957 -4.096 1.00 0.00 N ATOM 118 CA TYR A 415 61.560 -7.130 -3.486 1.00 0.00 C ATOM 119 C TYR A 415 62.570 -6.717 -4.557 1.00 0.00 C ATOM 120 O TYR A 415 63.032 -5.593 -4.589 1.00 0.00 O ATOM 121 CB TYR A 415 62.221 -8.040 -2.446 1.00 0.00 C ATOM 122 CG TYR A 415 61.862 -7.572 -1.055 1.00 0.00 C ATOM 123 CD1 TYR A 415 61.906 -6.209 -0.741 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.487 -8.503 -0.078 1.00 0.00 C ATOM 125 CE1 TYR A 415 61.574 -5.776 0.548 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.154 -8.070 1.211 1.00 0.00 C ATOM 127 CZ TYR A 415 61.199 -6.706 1.524 1.00 0.00 C ATOM 128 OH TYR A 415 60.871 -6.279 2.795 1.00 0.00 O ATOM 0 H TYR A 415 60.668 -8.284 -5.043 1.00 0.00 H new ATOM 0 HA TYR A 415 61.177 -6.214 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 415 61.893 -9.070 -2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.303 -8.029 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.196 -5.491 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 415 61.455 -9.555 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 415 61.607 -4.724 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.863 -8.788 1.964 1.00 0.00 H new ATOM 0 HH TYR A 415 60.633 -7.052 3.349 1.00 0.00 H new ATOM 138 N TRP A 416 62.907 -7.618 -5.437 1.00 0.00 N ATOM 139 CA TRP A 416 63.882 -7.289 -6.518 1.00 0.00 C ATOM 140 C TRP A 416 63.172 -6.501 -7.623 1.00 0.00 C ATOM 141 O TRP A 416 63.139 -6.910 -8.768 1.00 0.00 O ATOM 142 CB TRP A 416 64.357 -8.648 -7.037 1.00 0.00 C ATOM 143 CG TRP A 416 64.933 -9.428 -5.901 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.484 -10.627 -5.465 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.049 -9.073 -5.041 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.257 -11.029 -4.391 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.238 -10.103 -4.092 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.908 -7.964 -4.998 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.247 -10.033 -3.131 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.924 -7.890 -4.037 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.095 -8.922 -3.104 1.00 0.00 C ATOM 0 H TRP A 416 62.548 -8.573 -5.455 1.00 0.00 H new ATOM 0 HA TRP A 416 64.714 -6.676 -6.171 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.525 -9.192 -7.484 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.105 -8.512 -7.818 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.657 -11.180 -5.886 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.120 -11.902 -3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.785 -7.162 -5.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.372 -10.831 -2.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.580 -7.032 -4.015 1.00 0.00 H new ATOM 0 HH2 TRP A 416 68.881 -8.859 -2.366 1.00 0.00 H new ATOM 162 N ILE A 417 62.590 -5.382 -7.283 1.00 0.00 N ATOM 163 CA ILE A 417 61.863 -4.571 -8.304 1.00 0.00 C ATOM 164 C ILE A 417 62.538 -3.211 -8.496 1.00 0.00 C ATOM 165 O ILE A 417 63.677 -3.011 -8.118 1.00 0.00 O ATOM 166 CB ILE A 417 60.453 -4.394 -7.733 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.529 -3.675 -6.381 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.805 -5.764 -7.538 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.134 -3.188 -5.984 1.00 0.00 C ATOM 0 H ILE A 417 62.586 -4.993 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 417 61.855 -5.055 -9.281 1.00 0.00 H new ATOM 0 HB ILE A 417 59.857 -3.802 -8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.921 -4.350 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.216 -2.831 -6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.802 -5.637 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.746 -6.278 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.405 -6.355 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.187 -2.677 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.760 -2.499 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.460 -4.041 -5.905 1.00 0.00 H new ATOM 181 N THR A 418 61.839 -2.274 -9.082 1.00 0.00 N ATOM 182 CA THR A 418 62.429 -0.926 -9.305 1.00 0.00 C ATOM 183 C THR A 418 61.727 0.114 -8.425 1.00 0.00 C ATOM 184 O THR A 418 60.828 0.806 -8.861 1.00 0.00 O ATOM 185 CB THR A 418 62.183 -0.628 -10.785 1.00 0.00 C ATOM 186 OG1 THR A 418 60.983 -1.263 -11.207 1.00 0.00 O ATOM 187 CG2 THR A 418 63.357 -1.148 -11.616 1.00 0.00 C ATOM 0 H THR A 418 60.882 -2.387 -9.416 1.00 0.00 H new ATOM 0 HA THR A 418 63.488 -0.892 -9.051 1.00 0.00 H new ATOM 0 HB THR A 418 62.090 0.449 -10.925 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.826 -1.069 -12.155 1.00 0.00 H new ATOM 0 HG21 THR A 418 63.179 -0.935 -12.670 1.00 0.00 H new ATOM 0 HG22 THR A 418 64.275 -0.656 -11.296 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.454 -2.225 -11.475 1.00 0.00 H new ATOM 195 N CYS A 419 62.140 0.231 -7.190 1.00 0.00 N ATOM 196 CA CYS A 419 61.511 1.231 -6.272 1.00 0.00 C ATOM 197 C CYS A 419 61.507 2.622 -6.924 1.00 0.00 C ATOM 198 O CYS A 419 60.684 3.463 -6.620 1.00 0.00 O ATOM 199 CB CYS A 419 62.390 1.191 -5.012 1.00 0.00 C ATOM 200 SG CYS A 419 63.716 2.425 -5.105 1.00 0.00 S ATOM 0 H CYS A 419 62.888 -0.324 -6.775 1.00 0.00 H new ATOM 0 HA CYS A 419 60.469 1.009 -6.042 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.777 1.377 -4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.821 0.197 -4.896 1.00 0.00 H new ATOM 205 N CYS A 420 62.426 2.860 -7.823 1.00 0.00 N ATOM 206 CA CYS A 420 62.494 4.183 -8.509 1.00 0.00 C ATOM 207 C CYS A 420 62.418 3.980 -10.030 1.00 0.00 C ATOM 208 O CYS A 420 62.191 2.877 -10.487 1.00 0.00 O ATOM 209 CB CYS A 420 63.853 4.761 -8.098 1.00 0.00 C ATOM 210 SG CYS A 420 63.615 6.334 -7.231 1.00 0.00 S ATOM 0 H CYS A 420 63.137 2.189 -8.113 1.00 0.00 H new ATOM 0 HA CYS A 420 61.674 4.848 -8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 420 64.378 4.056 -7.454 1.00 0.00 H new ATOM 0 HB3 CYS A 420 64.476 4.912 -8.980 1.00 0.00 H new ATOM 0 HG CYS A 420 64.771 6.817 -6.884 1.00 0.00 H new ATOM 216 N PRO A 421 62.604 5.045 -10.774 1.00 0.00 N ATOM 217 CA PRO A 421 62.546 4.946 -12.250 1.00 0.00 C ATOM 218 C PRO A 421 63.856 4.370 -12.793 1.00 0.00 C ATOM 219 O PRO A 421 63.883 3.725 -13.824 1.00 0.00 O ATOM 220 CB PRO A 421 62.347 6.390 -12.700 1.00 0.00 C ATOM 221 CG PRO A 421 62.902 7.235 -11.596 1.00 0.00 C ATOM 222 CD PRO A 421 62.884 6.416 -10.326 1.00 0.00 C ATOM 0 HA PRO A 421 61.755 4.287 -12.609 1.00 0.00 H new ATOM 0 HB2 PRO A 421 62.865 6.583 -13.640 1.00 0.00 H new ATOM 0 HB3 PRO A 421 61.292 6.607 -12.867 1.00 0.00 H new ATOM 0 HG2 PRO A 421 63.918 7.550 -11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 421 62.308 8.141 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 421 63.838 6.475 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 421 62.119 6.772 -9.636 1.00 0.00 H new ATOM 230 N THR A 422 64.941 4.591 -12.101 1.00 0.00 N ATOM 231 CA THR A 422 66.251 4.051 -12.564 1.00 0.00 C ATOM 232 C THR A 422 66.827 3.118 -11.496 1.00 0.00 C ATOM 233 O THR A 422 68.019 3.081 -11.265 1.00 0.00 O ATOM 234 CB THR A 422 67.149 5.277 -12.749 1.00 0.00 C ATOM 235 OG1 THR A 422 66.944 6.179 -11.669 1.00 0.00 O ATOM 236 CG2 THR A 422 66.805 5.968 -14.070 1.00 0.00 C ATOM 0 H THR A 422 64.976 5.124 -11.232 1.00 0.00 H new ATOM 0 HA THR A 422 66.164 3.476 -13.486 1.00 0.00 H new ATOM 0 HB THR A 422 68.193 4.965 -12.768 1.00 0.00 H new ATOM 0 HG1 THR A 422 67.519 6.964 -11.785 1.00 0.00 H new ATOM 0 HG21 THR A 422 67.445 6.841 -14.201 1.00 0.00 H new ATOM 0 HG22 THR A 422 66.964 5.274 -14.896 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.761 6.282 -14.055 1.00 0.00 H new ATOM 244 N CYS A 423 65.980 2.372 -10.840 1.00 0.00 N ATOM 245 CA CYS A 423 66.459 1.443 -9.777 1.00 0.00 C ATOM 246 C CYS A 423 66.833 0.085 -10.378 1.00 0.00 C ATOM 247 O CYS A 423 66.392 -0.275 -11.453 1.00 0.00 O ATOM 248 CB CYS A 423 65.272 1.302 -8.821 1.00 0.00 C ATOM 249 SG CYS A 423 65.696 0.166 -7.476 1.00 0.00 S ATOM 0 H CYS A 423 64.972 2.366 -10.996 1.00 0.00 H new ATOM 0 HA CYS A 423 67.351 1.815 -9.274 1.00 0.00 H new ATOM 0 HB2 CYS A 423 65.004 2.277 -8.414 1.00 0.00 H new ATOM 0 HB3 CYS A 423 64.401 0.931 -9.361 1.00 0.00 H new ATOM 254 N ASP A 424 67.641 -0.671 -9.684 1.00 0.00 N ATOM 255 CA ASP A 424 68.048 -2.010 -10.197 1.00 0.00 C ATOM 256 C ASP A 424 68.371 -2.937 -9.021 1.00 0.00 C ATOM 257 O ASP A 424 69.291 -3.730 -9.076 1.00 0.00 O ATOM 258 CB ASP A 424 69.300 -1.750 -11.037 1.00 0.00 C ATOM 259 CG ASP A 424 68.896 -1.494 -12.490 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.464 -2.434 -13.138 1.00 0.00 O ATOM 261 OD2 ASP A 424 69.025 -0.364 -12.929 1.00 0.00 O ATOM 0 H ASP A 424 68.038 -0.417 -8.780 1.00 0.00 H new ATOM 0 HA ASP A 424 67.263 -2.491 -10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.843 -0.891 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 424 69.973 -2.606 -10.981 1.00 0.00 H new ATOM 266 N VAL A 425 67.619 -2.835 -7.958 1.00 0.00 N ATOM 267 CA VAL A 425 67.875 -3.702 -6.769 1.00 0.00 C ATOM 268 C VAL A 425 67.718 -5.177 -7.148 1.00 0.00 C ATOM 269 O VAL A 425 66.632 -5.654 -7.410 1.00 0.00 O ATOM 270 CB VAL A 425 66.827 -3.270 -5.737 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.617 -4.367 -4.687 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.313 -2.000 -5.040 1.00 0.00 C ATOM 0 H VAL A 425 66.837 -2.188 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 425 68.887 -3.595 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 425 65.882 -3.088 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.870 -4.040 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.274 -5.279 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.558 -4.563 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.574 -1.684 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.261 -2.199 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.451 -1.210 -5.778 1.00 0.00 H new ATOM 282 N ASP A 426 68.804 -5.897 -7.173 1.00 0.00 N ATOM 283 CA ASP A 426 68.749 -7.344 -7.526 1.00 0.00 C ATOM 284 C ASP A 426 69.823 -8.103 -6.747 1.00 0.00 C ATOM 285 O ASP A 426 70.961 -7.684 -6.680 1.00 0.00 O ATOM 286 CB ASP A 426 69.033 -7.399 -9.028 1.00 0.00 C ATOM 287 CG ASP A 426 68.653 -8.778 -9.569 1.00 0.00 C ATOM 288 OD1 ASP A 426 69.058 -9.761 -8.969 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.964 -8.830 -10.575 1.00 0.00 O ATOM 0 H ASP A 426 69.737 -5.542 -6.962 1.00 0.00 H new ATOM 0 HA ASP A 426 67.789 -7.799 -7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 426 68.466 -6.625 -9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 426 70.088 -7.201 -9.217 1.00 0.00 H new ATOM 294 N ILE A 427 69.473 -9.212 -6.150 1.00 0.00 N ATOM 295 CA ILE A 427 70.482 -9.988 -5.369 1.00 0.00 C ATOM 296 C ILE A 427 71.721 -10.269 -6.223 1.00 0.00 C ATOM 297 O ILE A 427 72.822 -10.373 -5.718 1.00 0.00 O ATOM 298 CB ILE A 427 69.777 -11.288 -4.979 1.00 0.00 C ATOM 299 CG1 ILE A 427 70.669 -12.075 -4.011 1.00 0.00 C ATOM 300 CG2 ILE A 427 69.501 -12.130 -6.229 1.00 0.00 C ATOM 301 CD1 ILE A 427 69.971 -12.191 -2.653 1.00 0.00 C ATOM 0 H ILE A 427 68.535 -9.613 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 427 70.830 -9.442 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 427 68.829 -11.054 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 427 70.873 -13.067 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 427 71.630 -11.574 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 427 68.999 -13.054 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 427 68.864 -11.568 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.443 -12.368 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 427 70.605 -12.750 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 427 69.790 -11.194 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.021 -12.711 -2.775 1.00 0.00 H new ATOM 313 N ASN A 428 71.553 -10.378 -7.516 1.00 0.00 N ATOM 314 CA ASN A 428 72.729 -10.635 -8.401 1.00 0.00 C ATOM 315 C ASN A 428 73.799 -9.571 -8.147 1.00 0.00 C ATOM 316 O ASN A 428 74.978 -9.796 -8.342 1.00 0.00 O ATOM 317 CB ASN A 428 72.188 -10.527 -9.829 1.00 0.00 C ATOM 318 CG ASN A 428 72.786 -11.643 -10.688 1.00 0.00 C ATOM 319 OD1 ASN A 428 72.087 -12.279 -11.451 1.00 0.00 O ATOM 320 ND2 ASN A 428 74.061 -11.909 -10.596 1.00 0.00 N ATOM 0 H ASN A 428 70.656 -10.301 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 428 73.187 -11.608 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.101 -10.601 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.439 -9.554 -10.252 1.00 0.00 H new ATOM 0 HD21 ASN A 428 74.470 -12.651 -11.165 1.00 0.00 H new ATOM 0 HD22 ASN A 428 74.648 -11.375 -9.955 1.00 0.00 H new ATOM 327 N THR A 429 73.388 -8.415 -7.697 1.00 0.00 N ATOM 328 CA THR A 429 74.361 -7.325 -7.408 1.00 0.00 C ATOM 329 C THR A 429 73.974 -6.608 -6.108 1.00 0.00 C ATOM 330 O THR A 429 74.465 -5.536 -5.812 1.00 0.00 O ATOM 331 CB THR A 429 74.262 -6.370 -8.602 1.00 0.00 C ATOM 332 OG1 THR A 429 75.122 -5.260 -8.390 1.00 0.00 O ATOM 333 CG2 THR A 429 72.820 -5.878 -8.757 1.00 0.00 C ATOM 0 H THR A 429 72.412 -8.179 -7.516 1.00 0.00 H new ATOM 0 HA THR A 429 75.376 -7.700 -7.276 1.00 0.00 H new ATOM 0 HB THR A 429 74.560 -6.896 -9.509 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.202 -5.087 -7.429 1.00 0.00 H new ATOM 0 HG21 THR A 429 72.757 -5.199 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.161 -6.730 -8.923 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.515 -5.354 -7.851 1.00 0.00 H new ATOM 341 N TRP A 430 73.099 -7.195 -5.329 1.00 0.00 N ATOM 342 CA TRP A 430 72.684 -6.548 -4.050 1.00 0.00 C ATOM 343 C TRP A 430 73.199 -7.345 -2.854 1.00 0.00 C ATOM 344 O TRP A 430 73.636 -8.472 -2.984 1.00 0.00 O ATOM 345 CB TRP A 430 71.158 -6.572 -4.046 1.00 0.00 C ATOM 346 CG TRP A 430 70.665 -5.716 -2.935 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.465 -4.378 -2.965 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.321 -6.151 -1.618 1.00 0.00 C ATOM 349 NE1 TRP A 430 70.013 -3.975 -1.717 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.910 -5.048 -0.848 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.337 -7.409 -1.042 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.521 -5.201 0.484 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.949 -7.585 0.296 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.541 -6.477 1.059 1.00 0.00 C ATOM 0 H TRP A 430 72.656 -8.093 -5.525 1.00 0.00 H new ATOM 0 HA TRP A 430 73.084 -5.537 -3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.773 -6.211 -5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.798 -7.593 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.629 -3.734 -3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.786 -3.012 -1.471 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.650 -8.262 -1.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.208 -4.345 1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 69.964 -8.570 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.243 -6.610 2.089 1.00 0.00 H new ATOM 365 N VAL A 431 73.130 -6.770 -1.686 1.00 0.00 N ATOM 366 CA VAL A 431 73.591 -7.483 -0.463 1.00 0.00 C ATOM 367 C VAL A 431 72.830 -6.955 0.760 1.00 0.00 C ATOM 368 O VAL A 431 72.223 -5.905 0.697 1.00 0.00 O ATOM 369 CB VAL A 431 75.081 -7.165 -0.343 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.832 -7.741 -1.544 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.285 -5.648 -0.293 1.00 0.00 C ATOM 0 H VAL A 431 72.771 -5.829 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 431 73.415 -8.557 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 431 75.467 -7.612 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.894 -7.511 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.696 -8.822 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.443 -7.301 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.349 -5.427 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.893 -5.198 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.759 -5.238 0.569 1.00 0.00 H new ATOM 381 N PRO A 432 72.884 -7.698 1.836 1.00 0.00 N ATOM 382 CA PRO A 432 72.183 -7.279 3.075 1.00 0.00 C ATOM 383 C PRO A 432 72.887 -6.073 3.701 1.00 0.00 C ATOM 384 O PRO A 432 73.911 -6.201 4.343 1.00 0.00 O ATOM 385 CB PRO A 432 72.284 -8.505 3.978 1.00 0.00 C ATOM 386 CG PRO A 432 73.484 -9.247 3.486 1.00 0.00 C ATOM 387 CD PRO A 432 73.588 -8.976 2.008 1.00 0.00 C ATOM 0 HA PRO A 432 71.151 -6.971 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.398 -8.218 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.386 -9.119 3.913 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.383 -8.914 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.383 -10.315 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.627 -8.907 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.125 -9.770 1.422 1.00 0.00 H new ATOM 395 N PHE A 433 72.343 -4.900 3.512 1.00 0.00 N ATOM 396 CA PHE A 433 72.972 -3.676 4.090 1.00 0.00 C ATOM 397 C PHE A 433 72.384 -3.381 5.472 1.00 0.00 C ATOM 398 O PHE A 433 73.012 -2.756 6.304 1.00 0.00 O ATOM 399 CB PHE A 433 72.620 -2.553 3.109 1.00 0.00 C ATOM 400 CG PHE A 433 73.885 -1.953 2.544 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.484 -2.520 1.412 1.00 0.00 C ATOM 402 CD2 PHE A 433 74.457 -0.828 3.150 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.655 -1.962 0.887 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.629 -0.271 2.624 1.00 0.00 C ATOM 405 CZ PHE A 433 76.229 -0.837 1.493 1.00 0.00 C ATOM 0 H PHE A 433 71.488 -4.736 2.981 1.00 0.00 H new ATOM 0 HA PHE A 433 74.049 -3.786 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.000 -2.943 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.037 -1.784 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.042 -3.388 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.995 -0.390 4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.117 -2.399 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 433 76.071 0.597 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.133 -0.407 1.088 1.00 0.00 H new ATOM 415 N TYR A 434 71.180 -3.823 5.719 1.00 0.00 N ATOM 416 CA TYR A 434 70.544 -3.564 7.045 1.00 0.00 C ATOM 417 C TYR A 434 70.769 -4.754 7.981 1.00 0.00 C ATOM 418 O TYR A 434 71.058 -5.852 7.546 1.00 0.00 O ATOM 419 CB TYR A 434 69.050 -3.389 6.748 1.00 0.00 C ATOM 420 CG TYR A 434 68.867 -2.487 5.550 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.147 -1.117 5.652 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.424 -3.021 4.334 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.982 -0.285 4.539 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.259 -2.187 3.222 1.00 0.00 C ATOM 425 CZ TYR A 434 68.538 -0.820 3.324 1.00 0.00 C ATOM 426 OH TYR A 434 68.375 0.001 2.227 1.00 0.00 O ATOM 0 H TYR A 434 70.609 -4.352 5.060 1.00 0.00 H new ATOM 0 HA TYR A 434 70.965 -2.687 7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.592 -4.359 6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.545 -2.963 7.615 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.490 -0.704 6.589 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.210 -4.076 4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 434 69.197 0.770 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.916 -2.599 2.285 1.00 0.00 H new ATOM 0 HH TYR A 434 67.489 -0.149 1.835 1.00 0.00 H new ATOM 436 N SER A 435 70.639 -4.544 9.264 1.00 0.00 N ATOM 437 CA SER A 435 70.848 -5.661 10.232 1.00 0.00 C ATOM 438 C SER A 435 69.558 -6.468 10.397 1.00 0.00 C ATOM 439 O SER A 435 69.576 -7.683 10.433 1.00 0.00 O ATOM 440 CB SER A 435 71.226 -4.980 11.546 1.00 0.00 C ATOM 441 OG SER A 435 70.097 -4.281 12.053 1.00 0.00 O ATOM 0 H SER A 435 70.397 -3.647 9.684 1.00 0.00 H new ATOM 0 HA SER A 435 71.617 -6.358 9.898 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.564 -5.722 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 435 72.054 -4.290 11.386 1.00 0.00 H new ATOM 0 HG SER A 435 70.125 -3.350 11.749 1.00 0.00 H new ATOM 447 N THR A 436 68.438 -5.802 10.499 1.00 0.00 N ATOM 448 CA THR A 436 67.145 -6.531 10.663 1.00 0.00 C ATOM 449 C THR A 436 66.893 -7.444 9.459 1.00 0.00 C ATOM 450 O THR A 436 66.222 -8.452 9.562 1.00 0.00 O ATOM 451 CB THR A 436 66.074 -5.438 10.747 1.00 0.00 C ATOM 452 OG1 THR A 436 64.797 -6.041 10.897 1.00 0.00 O ATOM 453 CG2 THR A 436 66.094 -4.592 9.472 1.00 0.00 C ATOM 0 H THR A 436 68.362 -4.785 10.476 1.00 0.00 H new ATOM 0 HA THR A 436 67.142 -7.168 11.548 1.00 0.00 H new ATOM 0 HB THR A 436 66.279 -4.797 11.604 1.00 0.00 H new ATOM 0 HG1 THR A 436 64.111 -5.344 10.952 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.331 -3.817 9.538 1.00 0.00 H new ATOM 0 HG22 THR A 436 67.074 -4.128 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 436 65.892 -5.228 8.610 1.00 0.00 H new ATOM 461 N GLU A 437 67.427 -7.096 8.318 1.00 0.00 N ATOM 462 CA GLU A 437 67.220 -7.940 7.106 1.00 0.00 C ATOM 463 C GLU A 437 68.290 -9.033 7.035 1.00 0.00 C ATOM 464 O GLU A 437 69.385 -8.876 7.540 1.00 0.00 O ATOM 465 CB GLU A 437 67.357 -6.979 5.926 1.00 0.00 C ATOM 466 CG GLU A 437 66.167 -6.017 5.911 1.00 0.00 C ATOM 467 CD GLU A 437 64.961 -6.706 5.272 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.929 -6.794 4.055 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.089 -7.134 6.010 1.00 0.00 O ATOM 0 H GLU A 437 67.998 -6.263 8.174 1.00 0.00 H new ATOM 0 HA GLU A 437 66.252 -8.442 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.289 -6.420 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.398 -7.538 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.925 -5.706 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.422 -5.116 5.354 1.00 0.00 H new ATOM 476 N LEU A 438 67.981 -10.139 6.413 1.00 0.00 N ATOM 477 CA LEU A 438 68.979 -11.242 6.309 1.00 0.00 C ATOM 478 C LEU A 438 69.608 -11.253 4.913 1.00 0.00 C ATOM 479 O LEU A 438 70.810 -11.365 4.765 1.00 0.00 O ATOM 480 CB LEU A 438 68.181 -12.526 6.550 1.00 0.00 C ATOM 481 CG LEU A 438 68.930 -13.416 7.543 1.00 0.00 C ATOM 482 CD1 LEU A 438 68.910 -12.766 8.928 1.00 0.00 C ATOM 483 CD2 LEU A 438 68.251 -14.785 7.614 1.00 0.00 C ATOM 0 H LEU A 438 67.080 -10.326 5.972 1.00 0.00 H new ATOM 0 HA LEU A 438 69.794 -11.131 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.191 -12.284 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.034 -13.057 5.609 1.00 0.00 H new ATOM 0 HG LEU A 438 69.962 -13.538 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 438 69.444 -13.401 9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 438 69.394 -11.790 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 438 67.878 -12.643 9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 438 68.785 -15.420 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 438 67.219 -14.663 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 438 68.265 -15.250 6.628 1.00 0.00 H new ATOM 495 N ASN A 439 68.805 -11.137 3.889 1.00 0.00 N ATOM 496 CA ASN A 439 69.356 -11.140 2.502 1.00 0.00 C ATOM 497 C ASN A 439 68.454 -10.332 1.565 1.00 0.00 C ATOM 498 O ASN A 439 68.481 -10.508 0.363 1.00 0.00 O ATOM 499 CB ASN A 439 69.380 -12.612 2.090 1.00 0.00 C ATOM 500 CG ASN A 439 70.797 -13.167 2.250 1.00 0.00 C ATOM 501 OD1 ASN A 439 71.764 -12.471 2.012 1.00 0.00 O ATOM 502 ND2 ASN A 439 70.961 -14.399 2.647 1.00 0.00 N ATOM 0 H ASN A 439 67.792 -11.040 3.953 1.00 0.00 H new ATOM 0 HA ASN A 439 70.345 -10.685 2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 439 68.683 -13.183 2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.053 -12.716 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 439 71.901 -14.778 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 439 70.149 -14.983 2.847 1.00 0.00 H new ATOM 509 N LYS A 440 67.659 -9.444 2.103 1.00 0.00 N ATOM 510 CA LYS A 440 66.762 -8.623 1.235 1.00 0.00 C ATOM 511 C LYS A 440 66.745 -7.169 1.718 1.00 0.00 C ATOM 512 O LYS A 440 67.108 -6.884 2.843 1.00 0.00 O ATOM 513 CB LYS A 440 65.369 -9.241 1.370 1.00 0.00 C ATOM 514 CG LYS A 440 65.440 -10.754 1.139 1.00 0.00 C ATOM 515 CD LYS A 440 65.555 -11.472 2.486 1.00 0.00 C ATOM 516 CE LYS A 440 64.157 -11.833 2.997 1.00 0.00 C ATOM 517 NZ LYS A 440 64.083 -11.249 4.366 1.00 0.00 N ATOM 0 H LYS A 440 67.592 -9.252 3.102 1.00 0.00 H new ATOM 0 HA LYS A 440 67.100 -8.618 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.966 -9.035 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 440 64.690 -8.787 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 440 64.550 -11.094 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 440 66.297 -10.997 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 440 66.158 -12.374 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 440 66.063 -10.833 3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 440 63.382 -11.422 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 440 64.012 -12.913 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 63.152 -11.455 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.828 -11.664 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 64.217 -10.219 4.312 1.00 0.00 H new ATOM 531 N PRO A 441 66.326 -6.293 0.843 1.00 0.00 N ATOM 532 CA PRO A 441 66.265 -4.849 1.177 1.00 0.00 C ATOM 533 C PRO A 441 65.064 -4.549 2.081 1.00 0.00 C ATOM 534 O PRO A 441 64.081 -5.262 2.083 1.00 0.00 O ATOM 535 CB PRO A 441 66.101 -4.175 -0.182 1.00 0.00 C ATOM 536 CG PRO A 441 65.484 -5.213 -1.068 1.00 0.00 C ATOM 537 CD PRO A 441 65.877 -6.565 -0.527 1.00 0.00 C ATOM 0 HA PRO A 441 67.143 -4.502 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.465 -3.293 -0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 441 67.062 -3.844 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.399 -5.107 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.831 -5.096 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.036 -7.258 -0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.670 -7.016 -1.123 1.00 0.00 H new ATOM 545 N ALA A 442 65.140 -3.489 2.842 1.00 0.00 N ATOM 546 CA ALA A 442 64.009 -3.126 3.745 1.00 0.00 C ATOM 547 C ALA A 442 63.150 -2.042 3.089 1.00 0.00 C ATOM 548 O ALA A 442 63.159 -0.896 3.493 1.00 0.00 O ATOM 549 CB ALA A 442 64.671 -2.594 5.016 1.00 0.00 C ATOM 0 H ALA A 442 65.940 -2.857 2.877 1.00 0.00 H new ATOM 0 HA ALA A 442 63.354 -3.971 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.902 -2.305 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.299 -3.371 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.284 -1.727 4.771 1.00 0.00 H new ATOM 555 N MET A 443 62.416 -2.398 2.070 1.00 0.00 N ATOM 556 CA MET A 443 61.559 -1.396 1.369 1.00 0.00 C ATOM 557 C MET A 443 60.557 -0.760 2.337 1.00 0.00 C ATOM 558 O MET A 443 60.006 -1.417 3.198 1.00 0.00 O ATOM 559 CB MET A 443 60.816 -2.192 0.294 1.00 0.00 C ATOM 560 CG MET A 443 61.758 -2.484 -0.874 1.00 0.00 C ATOM 561 SD MET A 443 60.815 -2.500 -2.421 1.00 0.00 S ATOM 562 CE MET A 443 59.699 -3.860 -1.995 1.00 0.00 C ATOM 0 H MET A 443 62.372 -3.344 1.690 1.00 0.00 H new ATOM 0 HA MET A 443 62.152 -0.583 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.441 -3.126 0.713 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.951 -1.629 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 443 62.542 -1.728 -0.921 1.00 0.00 H new ATOM 0 HG3 MET A 443 62.251 -3.445 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 443 58.682 -3.602 -2.290 1.00 0.00 H new ATOM 0 HE2 MET A 443 60.011 -4.764 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 443 59.731 -4.034 -0.919 1.00 0.00 H new ATOM 572 N ILE A 444 60.307 0.513 2.186 1.00 0.00 N ATOM 573 CA ILE A 444 59.327 1.200 3.077 1.00 0.00 C ATOM 574 C ILE A 444 57.996 1.368 2.339 1.00 0.00 C ATOM 575 O ILE A 444 57.925 1.216 1.135 1.00 0.00 O ATOM 576 CB ILE A 444 59.952 2.563 3.392 1.00 0.00 C ATOM 577 CG1 ILE A 444 60.221 3.327 2.092 1.00 0.00 C ATOM 578 CG2 ILE A 444 61.269 2.360 4.142 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.240 4.830 2.376 1.00 0.00 C ATOM 0 H ILE A 444 60.741 1.109 1.481 1.00 0.00 H new ATOM 0 HA ILE A 444 59.123 0.638 3.988 1.00 0.00 H new ATOM 0 HB ILE A 444 59.262 3.137 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 444 61.174 3.015 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.451 3.095 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.713 3.330 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 444 61.079 1.824 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.955 1.781 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.432 5.373 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.276 5.136 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 444 61.026 5.054 3.097 1.00 0.00 H new ATOM 591 N TYR A 445 56.940 1.671 3.047 1.00 0.00 N ATOM 592 CA TYR A 445 55.617 1.836 2.377 1.00 0.00 C ATOM 593 C TYR A 445 55.289 3.323 2.181 1.00 0.00 C ATOM 594 O TYR A 445 55.461 4.130 3.074 1.00 0.00 O ATOM 595 CB TYR A 445 54.611 1.162 3.320 1.00 0.00 C ATOM 596 CG TYR A 445 54.240 2.098 4.449 1.00 0.00 C ATOM 597 CD1 TYR A 445 53.199 3.016 4.277 1.00 0.00 C ATOM 598 CD2 TYR A 445 54.935 2.045 5.663 1.00 0.00 C ATOM 599 CE1 TYR A 445 52.851 3.885 5.319 1.00 0.00 C ATOM 600 CE2 TYR A 445 54.588 2.913 6.706 1.00 0.00 C ATOM 601 CZ TYR A 445 53.546 3.834 6.533 1.00 0.00 C ATOM 602 OH TYR A 445 53.204 4.690 7.561 1.00 0.00 O ATOM 0 H TYR A 445 56.936 1.811 4.057 1.00 0.00 H new ATOM 0 HA TYR A 445 55.598 1.391 1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 445 53.717 0.878 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 445 55.040 0.245 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.663 3.055 3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 445 55.738 1.335 5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 445 52.047 4.594 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 445 55.123 2.873 7.643 1.00 0.00 H new ATOM 0 HH TYR A 445 53.371 5.615 7.285 1.00 0.00 H new ATOM 612 N CYS A 446 54.809 3.686 1.019 1.00 0.00 N ATOM 613 CA CYS A 446 54.460 5.117 0.766 1.00 0.00 C ATOM 614 C CYS A 446 53.118 5.449 1.426 1.00 0.00 C ATOM 615 O CYS A 446 52.328 4.572 1.717 1.00 0.00 O ATOM 616 CB CYS A 446 54.357 5.239 -0.759 1.00 0.00 C ATOM 617 SG CYS A 446 53.847 6.921 -1.211 1.00 0.00 S ATOM 0 H CYS A 446 54.644 3.054 0.235 1.00 0.00 H new ATOM 0 HA CYS A 446 55.199 5.805 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.318 5.006 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.637 4.516 -1.143 1.00 0.00 H new ATOM 622 N SER A 447 52.855 6.706 1.660 1.00 0.00 N ATOM 623 CA SER A 447 51.564 7.093 2.298 1.00 0.00 C ATOM 624 C SER A 447 50.718 7.910 1.317 1.00 0.00 C ATOM 625 O SER A 447 50.075 8.872 1.690 1.00 0.00 O ATOM 626 CB SER A 447 51.955 7.942 3.506 1.00 0.00 C ATOM 627 OG SER A 447 51.908 7.140 4.679 1.00 0.00 O ATOM 0 H SER A 447 53.478 7.482 1.437 1.00 0.00 H new ATOM 0 HA SER A 447 50.969 6.227 2.588 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.957 8.349 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.277 8.790 3.604 1.00 0.00 H new ATOM 0 HG SER A 447 52.160 7.682 5.456 1.00 0.00 H new ATOM 633 N HIS A 448 50.717 7.533 0.067 1.00 0.00 N ATOM 634 CA HIS A 448 49.916 8.285 -0.942 1.00 0.00 C ATOM 635 C HIS A 448 49.041 7.322 -1.750 1.00 0.00 C ATOM 636 O HIS A 448 49.521 6.362 -2.320 1.00 0.00 O ATOM 637 CB HIS A 448 50.951 8.957 -1.844 1.00 0.00 C ATOM 638 CG HIS A 448 50.250 9.819 -2.858 1.00 0.00 C ATOM 639 ND1 HIS A 448 50.065 11.180 -2.669 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.682 9.529 -4.073 1.00 0.00 C ATOM 641 CE1 HIS A 448 49.411 11.654 -3.746 1.00 0.00 C ATOM 642 NE2 HIS A 448 49.152 10.688 -4.633 1.00 0.00 N ATOM 0 H HIS A 448 51.237 6.736 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 448 49.244 9.009 -0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.632 9.562 -1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 448 51.554 8.202 -2.348 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.651 8.549 -4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 448 49.130 12.688 -3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 448 48.670 10.780 -5.527 1.00 0.00 H new ATOM 650 N GLY A 449 47.760 7.575 -1.804 1.00 0.00 N ATOM 651 CA GLY A 449 46.852 6.677 -2.575 1.00 0.00 C ATOM 652 C GLY A 449 46.841 5.287 -1.938 1.00 0.00 C ATOM 653 O GLY A 449 46.705 5.146 -0.738 1.00 0.00 O ATOM 0 H GLY A 449 47.304 8.365 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 449 45.843 7.089 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.184 6.610 -3.611 1.00 0.00 H new ATOM 657 N ASP A 450 46.983 4.260 -2.732 1.00 0.00 N ATOM 658 CA ASP A 450 46.981 2.874 -2.173 1.00 0.00 C ATOM 659 C ASP A 450 48.226 2.653 -1.309 1.00 0.00 C ATOM 660 O ASP A 450 48.140 2.194 -0.186 1.00 0.00 O ATOM 661 CB ASP A 450 47.002 1.947 -3.394 1.00 0.00 C ATOM 662 CG ASP A 450 45.761 1.052 -3.380 1.00 0.00 C ATOM 663 OD1 ASP A 450 45.774 0.066 -2.663 1.00 0.00 O ATOM 664 OD2 ASP A 450 44.820 1.368 -4.089 1.00 0.00 O ATOM 0 H ASP A 450 47.100 4.319 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 450 46.115 2.687 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 450 47.027 2.537 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 450 47.904 1.335 -3.383 1.00 0.00 H new ATOM 669 N GLY A 451 49.381 2.975 -1.826 1.00 0.00 N ATOM 670 CA GLY A 451 50.632 2.783 -1.038 1.00 0.00 C ATOM 671 C GLY A 451 51.428 1.615 -1.621 1.00 0.00 C ATOM 672 O GLY A 451 50.905 0.536 -1.824 1.00 0.00 O ATOM 0 H GLY A 451 49.512 3.363 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.232 3.693 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.390 2.587 0.006 1.00 0.00 H new ATOM 676 N HIS A 452 52.693 1.817 -1.877 1.00 0.00 N ATOM 677 CA HIS A 452 53.529 0.713 -2.431 1.00 0.00 C ATOM 678 C HIS A 452 54.806 0.555 -1.616 1.00 0.00 C ATOM 679 O HIS A 452 55.066 1.303 -0.693 1.00 0.00 O ATOM 680 CB HIS A 452 53.857 1.077 -3.886 1.00 0.00 C ATOM 681 CG HIS A 452 54.428 2.470 -3.991 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.608 2.729 -4.673 1.00 0.00 N ATOM 683 CD2 HIS A 452 53.992 3.689 -3.532 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.835 4.054 -4.604 1.00 0.00 C ATOM 685 NE2 HIS A 452 54.880 4.679 -3.918 1.00 0.00 N ATOM 0 H HIS A 452 53.183 2.699 -1.726 1.00 0.00 H new ATOM 0 HA HIS A 452 52.995 -0.236 -2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.570 0.359 -4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.954 1.006 -4.493 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.197 2.040 -5.142 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.092 3.851 -2.957 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.686 4.549 -5.049 1.00 0.00 H new ATOM 693 N TRP A 453 55.594 -0.425 -1.947 1.00 0.00 N ATOM 694 CA TRP A 453 56.853 -0.663 -1.195 1.00 0.00 C ATOM 695 C TRP A 453 58.074 -0.306 -2.051 1.00 0.00 C ATOM 696 O TRP A 453 58.163 -0.673 -3.206 1.00 0.00 O ATOM 697 CB TRP A 453 56.826 -2.158 -0.897 1.00 0.00 C ATOM 698 CG TRP A 453 56.065 -2.404 0.366 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.719 -2.335 0.486 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.575 -2.755 1.686 1.00 0.00 C ATOM 701 NE1 TRP A 453 54.370 -2.622 1.793 1.00 0.00 N ATOM 702 CE2 TRP A 453 55.479 -2.888 2.572 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.868 -2.971 2.196 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.659 -3.222 3.915 1.00 0.00 C ATOM 705 CZ3 TRP A 453 58.054 -3.307 3.547 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.951 -3.432 4.404 1.00 0.00 C ATOM 0 H TRP A 453 55.419 -1.076 -2.712 1.00 0.00 H new ATOM 0 HA TRP A 453 56.924 -0.054 -0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 453 56.362 -2.696 -1.724 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.843 -2.538 -0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 453 54.029 -2.095 -0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 453 53.411 -2.636 2.139 1.00 0.00 H new ATOM 0 HE3 TRP A 453 58.724 -2.878 1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.806 -3.317 4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 59.051 -3.470 3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 453 57.100 -3.691 5.442 1.00 0.00 H new ATOM 717 N VAL A 454 59.017 0.402 -1.486 1.00 0.00 N ATOM 718 CA VAL A 454 60.241 0.780 -2.259 1.00 0.00 C ATOM 719 C VAL A 454 61.466 0.783 -1.337 1.00 0.00 C ATOM 720 O VAL A 454 61.372 1.100 -0.169 1.00 0.00 O ATOM 721 CB VAL A 454 59.970 2.185 -2.812 1.00 0.00 C ATOM 722 CG1 VAL A 454 59.048 2.086 -4.028 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.301 3.050 -1.744 1.00 0.00 C ATOM 0 H VAL A 454 58.994 0.736 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 454 60.449 0.074 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 454 60.917 2.640 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.855 3.084 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 454 59.525 1.479 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 454 58.106 1.624 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.113 4.045 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.356 2.595 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 454 59.956 3.128 -0.876 1.00 0.00 H new ATOM 733 N HIS A 455 62.612 0.421 -1.853 1.00 0.00 N ATOM 734 CA HIS A 455 63.849 0.386 -1.004 1.00 0.00 C ATOM 735 C HIS A 455 64.078 1.742 -0.330 1.00 0.00 C ATOM 736 O HIS A 455 63.666 2.772 -0.827 1.00 0.00 O ATOM 737 CB HIS A 455 65.008 0.066 -1.961 1.00 0.00 C ATOM 738 CG HIS A 455 64.651 -1.102 -2.829 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.604 -1.013 -4.224 1.00 0.00 N ATOM 740 CD2 HIS A 455 64.276 -2.378 -2.518 1.00 0.00 C ATOM 741 CE1 HIS A 455 64.198 -2.212 -4.694 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.995 -3.050 -3.689 1.00 0.00 N ATOM 0 H HIS A 455 62.749 0.147 -2.826 1.00 0.00 H new ATOM 0 HA HIS A 455 63.765 -0.357 -0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 455 65.229 0.935 -2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.910 -0.157 -1.391 1.00 0.00 H new ATOM 0 HD2 HIS A 455 64.211 -2.791 -1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 455 64.059 -2.453 -5.738 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.686 -4.019 -3.767 1.00 0.00 H new ATOM 750 N ALA A 456 64.735 1.745 0.801 1.00 0.00 N ATOM 751 CA ALA A 456 64.997 3.027 1.514 1.00 0.00 C ATOM 752 C ALA A 456 66.333 3.620 1.059 1.00 0.00 C ATOM 753 O ALA A 456 66.426 4.787 0.732 1.00 0.00 O ATOM 754 CB ALA A 456 65.055 2.652 2.996 1.00 0.00 C ATOM 0 H ALA A 456 65.102 0.912 1.261 1.00 0.00 H new ATOM 0 HA ALA A 456 64.231 3.776 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.245 3.546 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 456 64.105 2.212 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.856 1.931 3.158 1.00 0.00 H new ATOM 760 N GLN A 457 67.368 2.822 1.034 1.00 0.00 N ATOM 761 CA GLN A 457 68.700 3.336 0.597 1.00 0.00 C ATOM 762 C GLN A 457 68.609 3.904 -0.823 1.00 0.00 C ATOM 763 O GLN A 457 69.299 4.841 -1.172 1.00 0.00 O ATOM 764 CB GLN A 457 69.634 2.122 0.638 1.00 0.00 C ATOM 765 CG GLN A 457 69.126 1.044 -0.323 1.00 0.00 C ATOM 766 CD GLN A 457 70.070 -0.159 -0.284 1.00 0.00 C ATOM 767 OE1 GLN A 457 70.497 -0.674 -1.405 1.00 0.00 O flip ATOM 768 NE2 GLN A 457 70.423 -0.635 0.776 1.00 0.00 N flip ATOM 0 H GLN A 457 67.349 1.837 1.297 1.00 0.00 H new ATOM 0 HA GLN A 457 69.060 4.142 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 457 70.645 2.420 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.684 1.724 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 457 68.118 0.738 -0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 457 69.069 1.442 -1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.089 -0.233 1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.053 -1.437 0.790 1.00 0.00 H new ATOM 777 N CYS A 458 67.755 3.344 -1.640 1.00 0.00 N ATOM 778 CA CYS A 458 67.612 3.854 -3.037 1.00 0.00 C ATOM 779 C CYS A 458 67.178 5.323 -3.020 1.00 0.00 C ATOM 780 O CYS A 458 67.402 6.056 -3.964 1.00 0.00 O ATOM 781 CB CYS A 458 66.528 2.981 -3.672 1.00 0.00 C ATOM 782 SG CYS A 458 67.248 1.409 -4.210 1.00 0.00 S ATOM 0 H CYS A 458 67.151 2.557 -1.401 1.00 0.00 H new ATOM 0 HA CYS A 458 68.549 3.805 -3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.728 2.799 -2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 458 66.083 3.498 -4.522 1.00 0.00 H new ATOM 787 N MET A 459 66.558 5.758 -1.953 1.00 0.00 N ATOM 788 CA MET A 459 66.109 7.178 -1.874 1.00 0.00 C ATOM 789 C MET A 459 67.144 8.021 -1.121 1.00 0.00 C ATOM 790 O MET A 459 67.857 8.811 -1.709 1.00 0.00 O ATOM 791 CB MET A 459 64.788 7.134 -1.104 1.00 0.00 C ATOM 792 CG MET A 459 63.773 6.284 -1.870 1.00 0.00 C ATOM 793 SD MET A 459 63.313 7.127 -3.404 1.00 0.00 S ATOM 794 CE MET A 459 62.283 5.805 -4.087 1.00 0.00 C ATOM 0 H MET A 459 66.344 5.190 -1.133 1.00 0.00 H new ATOM 0 HA MET A 459 65.991 7.629 -2.859 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.949 6.717 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.402 8.144 -0.967 1.00 0.00 H new ATOM 0 HG2 MET A 459 64.198 5.305 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.888 6.115 -1.256 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.522 6.236 -4.737 1.00 0.00 H new ATOM 0 HE2 MET A 459 62.905 5.119 -4.662 1.00 0.00 H new ATOM 0 HE3 MET A 459 61.801 5.263 -3.274 1.00 0.00 H new ATOM 804 N ASP A 460 67.234 7.856 0.174 1.00 0.00 N ATOM 805 CA ASP A 460 68.220 8.638 0.972 1.00 0.00 C ATOM 806 C ASP A 460 68.067 8.314 2.461 1.00 0.00 C ATOM 807 O ASP A 460 68.162 9.183 3.306 1.00 0.00 O ATOM 808 CB ASP A 460 67.894 10.114 0.710 1.00 0.00 C ATOM 809 CG ASP A 460 69.105 10.805 0.080 1.00 0.00 C ATOM 810 OD1 ASP A 460 69.710 10.213 -0.799 1.00 0.00 O ATOM 811 OD2 ASP A 460 69.408 11.914 0.488 1.00 0.00 O ATOM 0 H ASP A 460 66.661 7.208 0.715 1.00 0.00 H new ATOM 0 HA ASP A 460 69.246 8.400 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.032 10.194 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 460 67.626 10.609 1.644 1.00 0.00 H new ATOM 816 N LEU A 461 67.828 7.072 2.789 1.00 0.00 N ATOM 817 CA LEU A 461 67.667 6.696 4.224 1.00 0.00 C ATOM 818 C LEU A 461 68.700 5.636 4.617 1.00 0.00 C ATOM 819 O LEU A 461 69.431 5.130 3.789 1.00 0.00 O ATOM 820 CB LEU A 461 66.251 6.125 4.329 1.00 0.00 C ATOM 821 CG LEU A 461 65.232 7.260 4.206 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.707 7.323 2.769 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.065 7.003 5.164 1.00 0.00 C ATOM 0 H LEU A 461 67.737 6.302 2.126 1.00 0.00 H new ATOM 0 HA LEU A 461 67.816 7.546 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.086 5.387 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.125 5.610 5.282 1.00 0.00 H new ATOM 0 HG LEU A 461 65.710 8.206 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.981 8.132 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.537 7.505 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.229 6.377 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 461 63.338 7.811 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 461 63.587 6.057 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 461 64.437 6.958 6.187 1.00 0.00 H new ATOM 835 N GLU A 462 68.762 5.298 5.878 1.00 0.00 N ATOM 836 CA GLU A 462 69.742 4.271 6.333 1.00 0.00 C ATOM 837 C GLU A 462 69.035 3.212 7.182 1.00 0.00 C ATOM 838 O GLU A 462 67.822 3.141 7.216 1.00 0.00 O ATOM 839 CB GLU A 462 70.762 5.041 7.172 1.00 0.00 C ATOM 840 CG GLU A 462 71.647 5.886 6.252 1.00 0.00 C ATOM 841 CD GLU A 462 73.041 6.021 6.867 1.00 0.00 C ATOM 842 OE1 GLU A 462 73.587 5.009 7.276 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.540 7.133 6.919 1.00 0.00 O ATOM 0 H GLU A 462 68.174 5.690 6.613 1.00 0.00 H new ATOM 0 HA GLU A 462 70.214 3.749 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 462 70.249 5.682 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 462 71.375 4.346 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 462 71.715 5.421 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 462 71.204 6.872 6.109 1.00 0.00 H new ATOM 850 N GLU A 463 69.783 2.388 7.866 1.00 0.00 N ATOM 851 CA GLU A 463 69.152 1.333 8.714 1.00 0.00 C ATOM 852 C GLU A 463 68.430 1.972 9.903 1.00 0.00 C ATOM 853 O GLU A 463 67.339 1.576 10.264 1.00 0.00 O ATOM 854 CB GLU A 463 70.312 0.460 9.195 1.00 0.00 C ATOM 855 CG GLU A 463 69.763 -0.812 9.847 1.00 0.00 C ATOM 856 CD GLU A 463 69.827 -0.678 11.369 1.00 0.00 C ATOM 857 OE1 GLU A 463 69.500 0.388 11.865 1.00 0.00 O ATOM 858 OE2 GLU A 463 70.203 -1.643 12.014 1.00 0.00 O ATOM 0 H GLU A 463 70.803 2.399 7.875 1.00 0.00 H new ATOM 0 HA GLU A 463 68.409 0.754 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 463 70.957 0.201 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 463 70.924 1.012 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 463 68.734 -0.980 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.342 -1.677 9.524 1.00 0.00 H new ATOM 865 N ARG A 464 69.030 2.959 10.514 1.00 0.00 N ATOM 866 CA ARG A 464 68.378 3.625 11.681 1.00 0.00 C ATOM 867 C ARG A 464 67.074 4.296 11.244 1.00 0.00 C ATOM 868 O ARG A 464 66.019 4.024 11.784 1.00 0.00 O ATOM 869 CB ARG A 464 69.387 4.672 12.165 1.00 0.00 C ATOM 870 CG ARG A 464 69.838 4.330 13.586 1.00 0.00 C ATOM 871 CD ARG A 464 70.827 5.390 14.077 1.00 0.00 C ATOM 872 NE ARG A 464 69.992 6.590 14.361 1.00 0.00 N ATOM 873 CZ ARG A 464 70.336 7.753 13.878 1.00 0.00 C ATOM 874 NH1 ARG A 464 70.619 7.875 12.610 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.396 8.793 14.664 1.00 0.00 N ATOM 0 H ARG A 464 69.943 3.333 10.256 1.00 0.00 H new ATOM 0 HA ARG A 464 68.123 2.916 12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.247 4.699 11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.935 5.664 12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 464 68.976 4.286 14.252 1.00 0.00 H new ATOM 0 HG3 ARG A 464 70.305 3.345 13.604 1.00 0.00 H new ATOM 0 HD2 ARG A 464 71.354 5.055 14.970 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.583 5.605 13.322 1.00 0.00 H new ATOM 0 HE ARG A 464 69.152 6.503 14.933 1.00 0.00 H new ATOM 0 HH11 ARG A 464 70.571 7.062 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 464 70.888 8.784 12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 464 70.174 8.697 15.655 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.665 9.702 14.287 1.00 0.00 H new ATOM 889 N THR A 465 67.139 5.171 10.273 1.00 0.00 N ATOM 890 CA THR A 465 65.903 5.865 9.799 1.00 0.00 C ATOM 891 C THR A 465 64.771 4.855 9.585 1.00 0.00 C ATOM 892 O THR A 465 63.619 5.140 9.844 1.00 0.00 O ATOM 893 CB THR A 465 66.296 6.520 8.473 1.00 0.00 C ATOM 894 OG1 THR A 465 67.582 7.109 8.601 1.00 0.00 O ATOM 895 CG2 THR A 465 65.273 7.597 8.111 1.00 0.00 C ATOM 0 H THR A 465 67.996 5.435 9.787 1.00 0.00 H new ATOM 0 HA THR A 465 65.541 6.595 10.523 1.00 0.00 H new ATOM 0 HB THR A 465 66.318 5.765 7.687 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.836 7.528 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.554 8.063 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.287 7.144 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 465 65.248 8.353 8.895 1.00 0.00 H new ATOM 903 N LEU A 466 65.094 3.673 9.131 1.00 0.00 N ATOM 904 CA LEU A 466 64.034 2.643 8.922 1.00 0.00 C ATOM 905 C LEU A 466 63.438 2.257 10.277 1.00 0.00 C ATOM 906 O LEU A 466 62.240 2.105 10.418 1.00 0.00 O ATOM 907 CB LEU A 466 64.748 1.448 8.282 1.00 0.00 C ATOM 908 CG LEU A 466 64.150 1.173 6.901 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.205 0.518 6.009 1.00 0.00 C ATOM 910 CD2 LEU A 466 62.951 0.235 7.045 1.00 0.00 C ATOM 0 H LEU A 466 66.042 3.377 8.897 1.00 0.00 H new ATOM 0 HA LEU A 466 63.219 2.998 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 466 65.815 1.654 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 466 64.645 0.567 8.916 1.00 0.00 H new ATOM 0 HG LEU A 466 63.827 2.112 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 466 64.779 0.322 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.061 1.185 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.529 -0.421 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.523 0.038 6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.275 -0.703 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.199 0.701 7.681 1.00 0.00 H new ATOM 922 N ILE A 467 64.266 2.122 11.279 1.00 0.00 N ATOM 923 CA ILE A 467 63.747 1.773 12.632 1.00 0.00 C ATOM 924 C ILE A 467 62.915 2.943 13.147 1.00 0.00 C ATOM 925 O ILE A 467 61.804 2.786 13.613 1.00 0.00 O ATOM 926 CB ILE A 467 65.003 1.548 13.499 1.00 0.00 C ATOM 927 CG1 ILE A 467 64.828 0.266 14.317 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.234 2.734 14.456 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.161 -0.483 14.387 1.00 0.00 C ATOM 0 H ILE A 467 65.278 2.238 11.218 1.00 0.00 H new ATOM 0 HA ILE A 467 63.109 0.889 12.640 1.00 0.00 H new ATOM 0 HB ILE A 467 65.867 1.462 12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 467 64.482 0.508 15.322 1.00 0.00 H new ATOM 0 HG13 ILE A 467 64.067 -0.367 13.861 1.00 0.00 H new ATOM 0 HG21 ILE A 467 66.126 2.550 15.055 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.369 3.648 13.877 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.371 2.845 15.113 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.035 -1.396 14.970 1.00 0.00 H new ATOM 0 HD12 ILE A 467 66.488 -0.738 13.379 1.00 0.00 H new ATOM 0 HD13 ILE A 467 66.910 0.151 14.862 1.00 0.00 H new ATOM 941 N HIS A 468 63.462 4.122 13.050 1.00 0.00 N ATOM 942 CA HIS A 468 62.739 5.333 13.513 1.00 0.00 C ATOM 943 C HIS A 468 61.415 5.442 12.756 1.00 0.00 C ATOM 944 O HIS A 468 60.377 5.720 13.325 1.00 0.00 O ATOM 945 CB HIS A 468 63.685 6.489 13.162 1.00 0.00 C ATOM 946 CG HIS A 468 62.975 7.799 13.333 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.850 8.292 12.742 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 63.419 8.785 14.199 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 61.585 9.571 13.224 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 62.562 9.819 14.101 1.00 0.00 N flip ATOM 0 H HIS A 468 64.390 4.298 12.665 1.00 0.00 H new ATOM 0 HA HIS A 468 62.495 5.324 14.575 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.566 6.457 13.803 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.034 6.386 12.135 1.00 0.00 H new ATOM 0 HD2 HIS A 468 64.291 8.734 14.835 1.00 0.00 H new ATOM 0 HE1 HIS A 468 60.768 10.221 12.949 1.00 0.00 H new ATOM 0 HE2 HIS A 468 62.648 10.686 14.632 1.00 0.00 H new ATOM 958 N LEU A 469 61.457 5.219 11.474 1.00 0.00 N ATOM 959 CA LEU A 469 60.216 5.299 10.652 1.00 0.00 C ATOM 960 C LEU A 469 59.184 4.280 11.143 1.00 0.00 C ATOM 961 O LEU A 469 58.004 4.402 10.877 1.00 0.00 O ATOM 962 CB LEU A 469 60.674 4.966 9.231 1.00 0.00 C ATOM 963 CG LEU A 469 60.885 6.262 8.449 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.688 5.971 7.182 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.526 6.852 8.068 1.00 0.00 C ATOM 0 H LEU A 469 62.303 4.983 10.955 1.00 0.00 H new ATOM 0 HA LEU A 469 59.738 6.277 10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.600 4.391 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 469 59.929 4.345 8.733 1.00 0.00 H new ATOM 0 HG LEU A 469 61.432 6.974 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.838 6.896 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.656 5.550 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.144 5.259 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 469 59.674 7.777 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.980 6.139 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.954 7.061 8.972 1.00 0.00 H new ATOM 977 N SER A 470 59.617 3.277 11.863 1.00 0.00 N ATOM 978 CA SER A 470 58.656 2.255 12.373 1.00 0.00 C ATOM 979 C SER A 470 58.200 2.608 13.794 1.00 0.00 C ATOM 980 O SER A 470 57.264 2.033 14.312 1.00 0.00 O ATOM 981 CB SER A 470 59.440 0.943 12.373 1.00 0.00 C ATOM 982 OG SER A 470 58.529 -0.147 12.309 1.00 0.00 O ATOM 0 H SER A 470 60.592 3.122 12.119 1.00 0.00 H new ATOM 0 HA SER A 470 57.756 2.196 11.761 1.00 0.00 H new ATOM 0 HB2 SER A 470 60.122 0.913 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 470 60.050 0.870 13.273 1.00 0.00 H new ATOM 0 HG SER A 470 59.028 -0.991 12.307 1.00 0.00 H new ATOM 988 N GLU A 471 58.855 3.546 14.429 1.00 0.00 N ATOM 989 CA GLU A 471 58.457 3.927 15.815 1.00 0.00 C ATOM 990 C GLU A 471 57.937 5.368 15.847 1.00 0.00 C ATOM 991 O GLU A 471 57.139 5.730 16.689 1.00 0.00 O ATOM 992 CB GLU A 471 59.737 3.802 16.641 1.00 0.00 C ATOM 993 CG GLU A 471 59.391 3.328 18.054 1.00 0.00 C ATOM 994 CD GLU A 471 60.422 3.874 19.042 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.728 5.053 18.959 1.00 0.00 O ATOM 996 OE2 GLU A 471 60.890 3.104 19.866 1.00 0.00 O ATOM 0 H GLU A 471 59.647 4.063 14.047 1.00 0.00 H new ATOM 0 HA GLU A 471 57.656 3.296 16.200 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.420 3.097 16.167 1.00 0.00 H new ATOM 0 HB3 GLU A 471 60.249 4.763 16.684 1.00 0.00 H new ATOM 0 HG2 GLU A 471 58.393 3.668 18.329 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.378 2.239 18.091 1.00 0.00 H new ATOM 1003 N GLY A 472 58.384 6.193 14.937 1.00 0.00 N ATOM 1004 CA GLY A 472 57.916 7.609 14.917 1.00 0.00 C ATOM 1005 C GLY A 472 56.491 7.671 14.365 1.00 0.00 C ATOM 1006 O GLY A 472 55.695 6.777 14.579 1.00 0.00 O ATOM 0 H GLY A 472 59.053 5.947 14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 472 57.945 8.026 15.923 1.00 0.00 H new ATOM 0 HA3 GLY A 472 58.582 8.214 14.301 1.00 0.00 H new ATOM 1010 N SER A 473 56.163 8.718 13.657 1.00 0.00 N ATOM 1011 CA SER A 473 54.788 8.840 13.090 1.00 0.00 C ATOM 1012 C SER A 473 54.753 8.305 11.654 1.00 0.00 C ATOM 1013 O SER A 473 53.845 8.600 10.902 1.00 0.00 O ATOM 1014 CB SER A 473 54.483 10.337 13.111 1.00 0.00 C ATOM 1015 OG SER A 473 54.478 10.796 14.456 1.00 0.00 O ATOM 0 H SER A 473 56.789 9.496 13.446 1.00 0.00 H new ATOM 0 HA SER A 473 54.057 8.265 13.658 1.00 0.00 H new ATOM 0 HB2 SER A 473 55.230 10.880 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 473 53.517 10.530 12.645 1.00 0.00 H new ATOM 0 HG SER A 473 54.284 11.757 14.473 1.00 0.00 H new ATOM 1021 N ASN A 474 55.737 7.523 11.275 1.00 0.00 N ATOM 1022 CA ASN A 474 55.791 6.949 9.889 1.00 0.00 C ATOM 1023 C ASN A 474 55.298 7.959 8.841 1.00 0.00 C ATOM 1024 O ASN A 474 54.723 7.590 7.834 1.00 0.00 O ATOM 1025 CB ASN A 474 54.889 5.710 9.928 1.00 0.00 C ATOM 1026 CG ASN A 474 53.427 6.122 10.123 1.00 0.00 C ATOM 1027 OD1 ASN A 474 52.763 6.518 9.184 1.00 0.00 O ATOM 1028 ND2 ASN A 474 52.894 6.047 11.312 1.00 0.00 N ATOM 0 H ASN A 474 56.517 7.254 11.875 1.00 0.00 H new ATOM 0 HA ASN A 474 56.812 6.699 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 474 54.994 5.146 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 474 55.199 5.051 10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 474 51.921 6.320 11.453 1.00 0.00 H new ATOM 0 HD22 ASN A 474 53.450 5.715 12.100 1.00 0.00 H new ATOM 1035 N LYS A 475 55.525 9.225 9.068 1.00 0.00 N ATOM 1036 CA LYS A 475 55.075 10.251 8.083 1.00 0.00 C ATOM 1037 C LYS A 475 56.089 10.355 6.942 1.00 0.00 C ATOM 1038 O LYS A 475 56.749 11.362 6.771 1.00 0.00 O ATOM 1039 CB LYS A 475 55.013 11.560 8.875 1.00 0.00 C ATOM 1040 CG LYS A 475 53.755 12.338 8.479 1.00 0.00 C ATOM 1041 CD LYS A 475 54.012 13.838 8.634 1.00 0.00 C ATOM 1042 CE LYS A 475 54.198 14.175 10.115 1.00 0.00 C ATOM 1043 NZ LYS A 475 55.275 15.204 10.141 1.00 0.00 N ATOM 0 H LYS A 475 56.002 9.593 9.891 1.00 0.00 H new ATOM 0 HA LYS A 475 54.113 10.006 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 475 55.002 11.350 9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 475 55.902 12.160 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 475 53.483 12.110 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 475 52.916 12.036 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 475 54.900 14.126 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 475 53.176 14.405 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 475 53.276 14.557 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 475 54.481 13.292 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 55.461 15.487 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 56.142 14.809 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 54.975 16.035 9.592 1.00 0.00 H new ATOM 1057 N TYR A 476 56.222 9.315 6.163 1.00 0.00 N ATOM 1058 CA TYR A 476 57.198 9.343 5.036 1.00 0.00 C ATOM 1059 C TYR A 476 56.493 9.083 3.703 1.00 0.00 C ATOM 1060 O TYR A 476 55.545 8.327 3.624 1.00 0.00 O ATOM 1061 CB TYR A 476 58.189 8.222 5.346 1.00 0.00 C ATOM 1062 CG TYR A 476 59.338 8.294 4.373 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.144 7.918 3.040 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.592 8.744 4.799 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.204 7.993 2.132 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.655 8.816 3.891 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.461 8.441 2.557 1.00 0.00 C ATOM 1068 OH TYR A 476 62.506 8.514 1.660 1.00 0.00 O ATOM 0 H TYR A 476 55.696 8.446 6.259 1.00 0.00 H new ATOM 0 HA TYR A 476 57.688 10.312 4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.556 8.317 6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.695 7.253 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.176 7.570 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.740 9.036 5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.054 7.705 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.624 9.161 4.220 1.00 0.00 H new ATOM 0 HH TYR A 476 62.823 9.440 1.602 1.00 0.00 H new ATOM 1078 N TYR A 477 56.962 9.703 2.652 1.00 0.00 N ATOM 1079 CA TYR A 477 56.339 9.499 1.314 1.00 0.00 C ATOM 1080 C TYR A 477 57.422 9.163 0.285 1.00 0.00 C ATOM 1081 O TYR A 477 58.543 9.622 0.382 1.00 0.00 O ATOM 1082 CB TYR A 477 55.674 10.833 0.976 1.00 0.00 C ATOM 1083 CG TYR A 477 54.444 11.017 1.833 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.578 11.353 3.185 1.00 0.00 C ATOM 1085 CD2 TYR A 477 53.171 10.852 1.274 1.00 0.00 C ATOM 1086 CE1 TYR A 477 53.437 11.524 3.979 1.00 0.00 C ATOM 1087 CE2 TYR A 477 52.031 11.023 2.069 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.165 11.359 3.422 1.00 0.00 C ATOM 1089 OH TYR A 477 51.041 11.527 4.205 1.00 0.00 O ATOM 0 H TYR A 477 57.754 10.345 2.665 1.00 0.00 H new ATOM 0 HA TYR A 477 55.622 8.678 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 477 56.373 11.652 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 477 55.402 10.858 -0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 477 55.560 11.480 3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 477 53.068 10.593 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 477 53.540 11.784 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 477 51.049 10.896 1.639 1.00 0.00 H new ATOM 0 HH TYR A 477 50.239 11.377 3.662 1.00 0.00 H new ATOM 1099 N CYS A 478 57.098 8.363 -0.696 1.00 0.00 N ATOM 1100 CA CYS A 478 58.113 7.999 -1.728 1.00 0.00 C ATOM 1101 C CYS A 478 58.608 9.261 -2.449 1.00 0.00 C ATOM 1102 O CYS A 478 58.399 10.368 -1.992 1.00 0.00 O ATOM 1103 CB CYS A 478 57.384 7.042 -2.686 1.00 0.00 C ATOM 1104 SG CYS A 478 56.488 7.974 -3.955 1.00 0.00 S ATOM 0 H CYS A 478 56.176 7.946 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 478 58.998 7.527 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.103 6.373 -3.158 1.00 0.00 H new ATOM 0 HB3 CYS A 478 56.688 6.418 -2.126 1.00 0.00 H new ATOM 1109 N ASN A 479 59.263 9.103 -3.569 1.00 0.00 N ATOM 1110 CA ASN A 479 59.771 10.294 -4.313 1.00 0.00 C ATOM 1111 C ASN A 479 58.737 10.773 -5.340 1.00 0.00 C ATOM 1112 O ASN A 479 58.596 11.955 -5.584 1.00 0.00 O ATOM 1113 CB ASN A 479 61.037 9.805 -5.019 1.00 0.00 C ATOM 1114 CG ASN A 479 61.773 11.000 -5.630 1.00 0.00 C ATOM 1115 OD1 ASN A 479 62.442 11.736 -4.935 1.00 0.00 O ATOM 1116 ND2 ASN A 479 61.677 11.222 -6.913 1.00 0.00 N ATOM 0 H ASN A 479 59.468 8.202 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 479 59.966 11.137 -3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 479 61.685 9.288 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 479 60.778 9.087 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 479 62.164 12.014 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 479 61.115 10.603 -7.497 1.00 0.00 H new ATOM 1123 N GLU A 480 58.023 9.864 -5.950 1.00 0.00 N ATOM 1124 CA GLU A 480 57.009 10.265 -6.973 1.00 0.00 C ATOM 1125 C GLU A 480 55.701 10.731 -6.316 1.00 0.00 C ATOM 1126 O GLU A 480 54.739 11.032 -6.995 1.00 0.00 O ATOM 1127 CB GLU A 480 56.767 9.004 -7.803 1.00 0.00 C ATOM 1128 CG GLU A 480 56.459 9.397 -9.248 1.00 0.00 C ATOM 1129 CD GLU A 480 55.918 8.181 -10.004 1.00 0.00 C ATOM 1130 OE1 GLU A 480 55.225 7.387 -9.390 1.00 0.00 O ATOM 1131 OE2 GLU A 480 56.206 8.066 -11.184 1.00 0.00 O ATOM 0 H GLU A 480 58.097 8.860 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 480 57.361 11.102 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 480 57.645 8.359 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 480 55.937 8.434 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 480 55.728 10.206 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 480 57.360 9.770 -9.735 1.00 0.00 H new ATOM 1138 N HIS A 481 55.650 10.799 -5.011 1.00 0.00 N ATOM 1139 CA HIS A 481 54.396 11.250 -4.339 1.00 0.00 C ATOM 1140 C HIS A 481 54.717 12.245 -3.220 1.00 0.00 C ATOM 1141 O HIS A 481 53.915 12.479 -2.338 1.00 0.00 O ATOM 1142 CB HIS A 481 53.771 9.979 -3.763 1.00 0.00 C ATOM 1143 CG HIS A 481 53.378 9.060 -4.886 1.00 0.00 C ATOM 1144 ND1 HIS A 481 53.660 7.689 -4.862 1.00 0.00 N ATOM 1145 CD2 HIS A 481 52.732 9.291 -6.081 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.193 7.156 -6.010 1.00 0.00 C ATOM 1147 NE2 HIS A 481 52.632 8.092 -6.758 1.00 0.00 N ATOM 0 H HIS A 481 56.419 10.563 -4.384 1.00 0.00 H new ATOM 0 HA HIS A 481 53.723 11.758 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 481 54.479 9.480 -3.102 1.00 0.00 H new ATOM 0 HB3 HIS A 481 52.897 10.231 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 481 52.367 10.246 -6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.267 6.113 -6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.202 7.953 -7.672 1.00 0.00 H new ATOM 1155 N VAL A 482 55.883 12.838 -3.251 1.00 0.00 N ATOM 1156 CA VAL A 482 56.251 13.821 -2.191 1.00 0.00 C ATOM 1157 C VAL A 482 55.729 15.209 -2.562 1.00 0.00 C ATOM 1158 O VAL A 482 55.440 16.029 -1.712 1.00 0.00 O ATOM 1159 CB VAL A 482 57.781 13.801 -2.148 1.00 0.00 C ATOM 1160 CG1 VAL A 482 58.351 14.431 -3.423 1.00 0.00 C ATOM 1161 CG2 VAL A 482 58.264 14.592 -0.929 1.00 0.00 C ATOM 0 H VAL A 482 56.595 12.683 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 482 55.820 13.574 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 482 58.123 12.769 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 482 59.440 14.412 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 482 58.010 13.867 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 482 58.009 15.463 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 482 59.353 14.580 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 482 57.915 15.622 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 482 57.868 14.138 -0.021 1.00 0.00 H new ATOM 1171 N GLN A 483 55.609 15.467 -3.829 1.00 0.00 N ATOM 1172 CA GLN A 483 55.105 16.794 -4.288 1.00 0.00 C ATOM 1173 C GLN A 483 54.332 16.638 -5.601 1.00 0.00 C ATOM 1174 O GLN A 483 54.512 17.396 -6.533 1.00 0.00 O ATOM 1175 CB GLN A 483 56.360 17.647 -4.498 1.00 0.00 C ATOM 1176 CG GLN A 483 57.264 16.992 -5.545 1.00 0.00 C ATOM 1177 CD GLN A 483 58.729 17.223 -5.172 1.00 0.00 C ATOM 1178 OE1 GLN A 483 59.536 16.317 -5.235 1.00 0.00 O ATOM 1179 NE2 GLN A 483 59.112 18.409 -4.783 1.00 0.00 N ATOM 0 H GLN A 483 55.839 14.812 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 483 54.423 17.249 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 483 56.079 18.649 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 483 56.898 17.756 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 483 57.057 15.923 -5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 483 57.059 17.410 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 483 58.436 19.171 -4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 483 60.087 18.573 -4.533 1.00 0.00 H new ATOM 1188 N ILE A 484 53.473 15.654 -5.678 1.00 0.00 N ATOM 1189 CA ILE A 484 52.685 15.441 -6.929 1.00 0.00 C ATOM 1190 C ILE A 484 51.892 16.705 -7.282 1.00 0.00 C ATOM 1191 O ILE A 484 51.120 17.205 -6.488 1.00 0.00 O ATOM 1192 CB ILE A 484 51.740 14.278 -6.611 1.00 0.00 C ATOM 1193 CG1 ILE A 484 50.881 13.967 -7.841 1.00 0.00 C ATOM 1194 CG2 ILE A 484 50.831 14.654 -5.439 1.00 0.00 C ATOM 1195 CD1 ILE A 484 50.572 12.469 -7.882 1.00 0.00 C ATOM 0 H ILE A 484 53.283 14.989 -4.928 1.00 0.00 H new ATOM 0 HA ILE A 484 53.323 15.223 -7.786 1.00 0.00 H new ATOM 0 HB ILE A 484 52.329 13.400 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 484 49.954 14.539 -7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 484 51.405 14.266 -8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 484 50.161 13.823 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 484 51.440 14.873 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 484 50.244 15.534 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 484 49.961 12.247 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 484 51.504 11.907 -7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 484 50.031 12.184 -6.980 1.00 0.00 H new ATOM 1207 N ALA A 485 52.080 17.221 -8.467 1.00 0.00 N ATOM 1208 CA ALA A 485 51.341 18.452 -8.874 1.00 0.00 C ATOM 1209 C ALA A 485 50.363 18.132 -10.008 1.00 0.00 C ATOM 1210 O ALA A 485 50.430 18.705 -11.078 1.00 0.00 O ATOM 1211 CB ALA A 485 52.421 19.421 -9.353 1.00 0.00 C ATOM 0 H ALA A 485 52.714 16.843 -9.171 1.00 0.00 H new ATOM 0 HA ALA A 485 50.752 18.870 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 485 51.957 20.355 -9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 485 53.118 19.621 -8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 485 52.960 18.980 -10.191 1.00 0.00 H new ATOM 1217 N ARG A 486 49.455 17.221 -9.782 1.00 0.00 N ATOM 1218 CA ARG A 486 48.471 16.864 -10.846 1.00 0.00 C ATOM 1219 C ARG A 486 47.589 18.071 -11.175 1.00 0.00 C ATOM 1220 O ARG A 486 46.784 18.501 -10.370 1.00 0.00 O ATOM 1221 CB ARG A 486 47.631 15.733 -10.250 1.00 0.00 C ATOM 1222 CG ARG A 486 47.130 14.822 -11.372 1.00 0.00 C ATOM 1223 CD ARG A 486 46.173 13.777 -10.793 1.00 0.00 C ATOM 1224 NE ARG A 486 46.204 12.649 -11.764 1.00 0.00 N ATOM 1225 CZ ARG A 486 45.120 12.318 -12.413 1.00 0.00 C ATOM 1226 NH1 ARG A 486 44.571 13.165 -13.240 1.00 0.00 N ATOM 1227 NH2 ARG A 486 44.587 11.140 -12.235 1.00 0.00 N ATOM 0 H ARG A 486 49.352 16.708 -8.906 1.00 0.00 H new ATOM 0 HA ARG A 486 48.958 16.563 -11.773 1.00 0.00 H new ATOM 0 HB2 ARG A 486 48.226 15.159 -9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 486 46.787 16.145 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 486 46.622 15.412 -12.135 1.00 0.00 H new ATOM 0 HG3 ARG A 486 47.972 14.329 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 486 46.493 13.454 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 486 45.166 14.180 -10.687 1.00 0.00 H new ATOM 0 HE ARG A 486 47.071 12.135 -11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 486 44.988 14.085 -13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 486 43.724 12.907 -13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 486 45.017 10.478 -11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 486 43.740 10.881 -12.742 1.00 0.00 H new ATOM 1241 N ALA A 487 47.733 18.621 -12.351 1.00 0.00 N ATOM 1242 CA ALA A 487 46.903 19.802 -12.733 1.00 0.00 C ATOM 1243 C ALA A 487 45.466 19.364 -13.028 1.00 0.00 C ATOM 1244 O ALA A 487 45.054 18.350 -12.488 1.00 0.00 O ATOM 1245 CB ALA A 487 47.562 20.360 -13.995 1.00 0.00 C ATOM 1246 OXT ALA A 487 44.801 20.051 -13.786 1.00 0.00 O ATOM 0 H ALA A 487 48.390 18.304 -13.064 1.00 0.00 H new ATOM 0 HA ALA A 487 46.853 20.545 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 487 47.008 21.233 -14.339 1.00 0.00 H new ATOM 0 HB2 ALA A 487 48.590 20.647 -13.772 1.00 0.00 H new ATOM 0 HB3 ALA A 487 47.559 19.598 -14.774 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 65.261 0.662 -5.221 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 54.642 6.642 -3.406 1.00 0.00 ZN